ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C26H29FN6 — CID 171495308

IUPACethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESC/C=C(F)\C(=N/C)c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC)cc3)c2n1.CC
InChIInChI=1S/C24H23FN6.C2H6/c1-4-15-8-10-16(11-9-15)31-23(17-7-6-14-28-22(17)26)30-20-13-12-19(29-24(20)31)21(27-3)18(25)5-2;1-2/h5-14H,4H2,1-3H3,(H2,26,28);1-2H3/b18-5+,27-21+;
InChIKeyNVWZEYKCBRJUPE-KFAUCQCDSA-N
MW444.56 g/mol
LogP5.95
Rot. Bonds5

About ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171495308) has the molecular formula C26H29FN6 and a molecular weight of 444.56 g/mol. Its IUPAC name is ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Nameethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID171495308
Molecular FormulaC26H29FN6
Molecular Weight444.56 g/mol
Exact Mass444.24
IUPAC Nameethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESC/C=C(F)\C(=N/C)c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC)cc3)c2n1.CC
InChIInChI=1S/C24H23FN6.C2H6/c1-4-15-8-10-16(11-9-15)31-23(17-7-6-14-28-22(17)26)30-20-13-12-19(29-24(20)31)21(27-3)18(25)5-2;1-2/h5-14H,4H2,1-3H3,(H2,26,28);1-2H3/b18-5+,27-21+;
InChIKeyNVWZEYKCBRJUPE-KFAUCQCDSA-N
XLogP5.95
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495309
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945
ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495372
[4-[5-[(Z)-1-amino-2-[amino(ethyl)amino]ethenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;ethane
CID 171495135
ethane;3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171496092
3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171496093
[4-[2-(2-amino-3-pyridinyl)-5-(fluoromethoxy)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171494619
4-[[4-[2-(2-amino-3-pyridinyl)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-amine;ethane
CID 171494943
3-[2-(2-amino-3-pyridinyl)-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one;ethane
CID 171496245
3-[3-(4-propylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 170204603
3-[5-(3-ethylphenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;methanol
CID 171495070
[4-[2-(2-amino-3-pyridinyl)-5-[2-(fluoromethyl)triazol-4-yl]imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;ethane
CID 171495487

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171495308) is ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is C/C=C(F)\C(=N/C)c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC)cc3)c2n1.CC.
What is the InChIKey of ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is NVWZEYKCBRJUPE-KFAUCQCDSA-N. The full InChI is InChI=1S/C24H23FN6.C2H6/c1-4-15-8-10-16(11-9-15)31-23(17-7-6-14-28-22(17)26)30-20-13-12-19(29-24(20)31)21(27-3)18(25)5-2;1-2/h5-14H,4H2,1-3H3,(H2,26,28);1-2H3/b18-5+,27-21+;.
What are the key properties of ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 444.56 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171495308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).